5-methyl-aminomethyl-2-nitrobenzoic acid hydrochloride | 1029395-28-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-methyl-aminomethyl-2-nitrobenzoic acid hydrochloride
• 英文别名: 5-(Methylaminomethyl)-2-nitrobenzoic acid;hydrochloride
• CAS: 1029395-28-5
• 化学式: C₉H₁₀N₂O₄*ClH
• 分子量: 246.65
• InChiKey: HGPLOSTYLRKKAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.43
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  95.2
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  二碳酸二叔丁酯 、 5-methyl-aminomethyl-2-nitrobenzoic acid hydrochloride 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以71%的产率得到5-(N-tert-butoxycarbonyl-N-methyl-aminomethyl)-2-nitrobenzoic acid
  参考文献：
  名称：

  PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION

  摘要：

  公开号：

  EP2103601B1
• 作为产物：
  描述：

  5-(溴甲基)-2-硝基苯甲酸 、 甲胺 在 盐酸 作用下， 以 四氢呋喃 、 乙腈 、 乙酸乙酯 为溶剂， 生成 5-methyl-aminomethyl-2-nitrobenzoic acid hydrochloride
  参考文献：
  名称：

  PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION

  摘要：

  公开号：

  EP2103601B1

文献信息

• METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES
  申请人：KATAOKA Noriyasu

  公开号：US20090318688A1

  公开（公告）日：2009-12-24

  A method for preparing a phenylalanine derivative having a quinazoline-dione ring represented by the following formula (1) or a pharmaceutically acceptable salt thereof, comprising the following steps (a), (b) and (c): (a) reacting an acyl phenylalanine derivative represented by the following formula (2): with a carbonyl group-introducing reagent and a specific anthranilic acid derivative to thus form the corresponding carboxy-asymmetric urea derivative; (b) converting the carboxy-asymmetric urea derivative into the corresponding quinazoline-dione derivative in the presence of a carboxyl group-activating agent: (c) if desired, substituting an N-alkyl group for the hydrogen atom bonded to the nitrogen atom present in the quinazoline-dione ring of the quinazoline-dione derivative using an N-alkylation agent and then deprotecting the resulting product, when the substituent R3′ which is a group corresponding to R3 is protected. According to this method, there can be obtained a phenylalanine derivative having a quinazoline-dione skeleton in a industrially favorably high yield.

  一种制备具有喹唑啉二酮环的苯丙氨酸衍生物或其药学上可接受的盐的方法，其由以下步骤(a)、(b)和(c)组成：(a)用羰基基团引入试剂和特定的蒽酸衍生物反应，以形成相应的羧基-不对称脲衍生物，所述脲衍生物由以下式(2)所表示的酰基苯丙氨酸衍生物反应而成：(b)在羧基活化剂的存在下，将羧基-不对称脲衍生物转化为相应的喹唑啉二酮衍生物；(c)如果需要，在R3'是被保护的基团对应的R3时，使用N-烷基化试剂将取代喹唑啉二酮环中氮原子上的氢原子的N-烷基基团替换，并去保护所得产物。根据该方法，可以得到一个工业上有利的高产率的具有喹唑啉二酮骨架的苯丙氨酸衍生物。
• METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF THE DERIVATIVES
  申请人：KATAOKA Noriyasu

  公开号：US20110313154A1

  公开（公告）日：2011-12-22

  A method for preparing a phenylalanine derivative having a quinazoline-dione ring represented by the following formula (1) or a pharmaceutically acceptable salt thereof, comprising the following steps (a), (b) and (c): (a) reacting an acyl phenylalanine derivative represented by the following formula (2): with a carbonyl group-introducing reagent and a specific anthranilic acid derivative to thus form the corresponding carboxy-asymmetric urea derivative; (b) converting the carboxy-asymmetric urea derivative into the corresponding quinazoline-dione derivative in the presence of a carboxyl group-activating agent: (c) if desired, substituting an N-alkyl group for the hydrogen atom bonded to the nitrogen atom present in the quinazoline-dione ring of the quinazoline-dione derivative using an N-alkylation agent and then deprotecting the resulting product, when the substituent R3′ which is a group corresponding to R3 is protected. According to this method, there can be obtained a phenylalanine derivative having a quinazoline-dione skeleton in a industrially favorably high yield.

  一种制备具有喹唑啉二酮环的苯丙氨酸衍生物或其药学上可接受的盐的方法，其表示为以下公式（1），包括以下步骤（a）、（b）和（c）： （a）将以下公式（2）所表示的酰基苯丙氨酸衍生物与羰基引入试剂和特定的蒽酰氨基酸衍生物反应，从而形成相应的羧基不对称脲衍生物； （b）在羧基活化剂的存在下，将羧基不对称脲衍生物转化为相应的喹唑啉二酮衍生物； （c）如果需要，当保护基R3'对应于R3的基团受保护时，使用N-烷基化试剂将连接在喹唑啉二酮环中氮原子上的氢原子取代为N-烷基基团，然后去保护所得产物。通过该方法，可以在工业上获得具有喹唑啉二酮骨架的苯丙氨酸衍生物，且收率高。
• US8058432B2
  申请人：——

  公开号：US8058432B2

  公开（公告）日：2011-11-15
• US8546610B2
  申请人：——

  公开号：US8546610B2

  公开（公告）日：2013-10-01
• PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION
  申请人：Ajinomoto Co., Inc.

  公开号：EP2103601B1

  公开（公告）日：2012-03-14